SCHEMBL21089701

SCHEMBL21089701

CC(C)(C)OC(=O)NCc1cccc(OCc2cccc(Cn3cc(B4OC(C)(C)C(C)(C)O4)cn3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SCD O00767 1/20 0.41
KLKB1 P03952 4/20 0.40
FFAR1 O14842 1/20 0.40
ROCK2 O75116 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
BRD4 O60885 1/20 0.37
DGAT1 O75907 1/20 0.37
ANPEP P15144 1/20 0.37
GLS O94925 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21089856 0.92 TAS2R8 (0.40) TAS2R8PRMT5WDR77SCDKLKB1
SCHEMBL21049881 0.89 KLKB1 (0.42) TAS2R8KLKB1FFAR1DGAT1ANPEP
SCHEMBL21049915 0.87 SCD (0.42) PRMT5WDR77SCDFFAR1AAK1
SCHEMBL17129343 0.83 AAK1 (0.53) PRMT5WDR77AAK1BRD4DGAT1
SCHEMBL21049887 0.82 KLKB1 (0.42) TAS2R8KLKB1FFAR1ANPEPGLS
SCHEMBL21049901 0.81 MEN1 (0.44) TAS2R8KLKB1FFAR1DGAT1
SCHEMBL14858471 0.81 DGAT1 (0.52) KLKB1FFAR1DGAT1ANPEP
SCHEMBL29801489 0.81 DGAT1 (0.52) KLKB1FFAR1DGAT1ANPEP
SCHEMBL13737592 0.80 SCD (0.50) PRMT5WDR77SCDKLKB1FFAR1
SCHEMBL28632622 0.79 APP (0.42) KLKB1FFAR1DGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 TAS2R8 4808/4885PRMT5 493/4885WDR77 2006/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 TAS2R8 4808/4885PRMT5 493/4885WDR77 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.